[2-(2-phenylethynyl)phenyl] 4-methoxybenzoate

Systemtic Name: [2-(2-phenylethynyl)phenyl] 4-methoxybenzoate Openeye Name: [2-(2-phenylethynyl)phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-(2-phenylethynyl)phenyl] ester IUPAC Name: [2-(2-phenylethynyl)phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-(2-phenylethynyl)phenyl] ester Formula: C22H16O3 MolecularWeight: 328.36064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C#CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C#CC3=CC=CC=C3

InChI

InChI=1S/C22H16O3/c1-24-20-15-13-19(14-16-20)22(23)25-21-10-6-5-9-18(21)12-11-17-7-3-2-4-8-17/h2-10,13-16H,1H3